CID 1924474

Tcmdc-123856

Structural Information

Molecular Formula
C27H20Cl2N2O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NC3=CC(=C(C=C3)OC4=CC=C(C5=CC=CC=C54)Cl)Cl
InChI
InChI=1S/C27H20Cl2N2O2/c1-16-13-25(21-15-18(32-2)8-10-24(21)30-16)31-17-7-11-27(23(29)14-17)33-26-12-9-22(28)19-5-3-4-6-20(19)26/h3-15H,1-2H3,(H,30,31)
InChIKey
MKPVHTVXISJQPO-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-(4-chloronaphthalen-1-yl)oxyphenyl]-6-methoxy-2-methylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

474.09018 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.09746 213.6
[M+Na]+ 497.07940 225.2
[M-H]- 473.08290 223.0
[M+NH4]+ 492.12400 223.2
[M+K]+ 513.05334 216.4
[M+H-H2O]+ 457.08744 202.0
[M+HCOO]- 519.08838 225.2
[M+CH3COO]- 533.10403 222.6
[M+Na-2H]- 495.06485 217.8
[M]+ 474.08963 222.2
[M]- 474.09073 222.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe